Molecule card · MolClass #43386
24800165
24800165: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24800165Mitochondrial Fusion · compound_name
- MolClass ID
- 43386
- InChIKey
- ZFYAFXZSDRGZFA-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC(=C)C)C(=O)CC1C(=O)NCCN1(C)
- Standard InChI
- InChI=1S/C13H23N3O2/c1-5-16(9-10(2)3)12(17)8-11-13(18)14-6-7-15(11)4/h11H,2,5-9H2,1,3-4H3,(H,14,18)
- Stored Murcko scaffold
- [CH]1NCCNC1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 3713346#36552
- 24793382#39066
- CCOC(=O)CC1NCCNC1=O#150908
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.341 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.511
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24800165